6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine

C26H30N10O — CID 141494040

About 6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine

6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine (PubChem CID 141494040) has the molecular formula C26H30N10O and a molecular weight of 498.60 g/mol. Its IUPAC name is 6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine.

Molecular Properties

• Compound Name: 6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine
• PubChem CID: 141494040
• Molecular Formula: C26H30N10O
• Molecular Weight: 498.60 g/mol
• Exact Mass: 498.26
• IUPAC Name: 6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine
• SMILES: CN1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5cccnc5)nc4cn3)nc2)CC1
• InChI: InChI=1S/C26H30N10O/c1-34-7-9-35(10-8-34)20-4-5-23(28-17-20)32-24-15-21-22(18-29-24)31-26(30-19-3-2-6-27-16-19)33-25(21)36-11-13-37-14-12-36/h2-6,15-18H,7-14H2,1H3,(H,28,29,32)(H,30,31,33)
• InChIKey: PPXVFXNMUFFYHK-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 107.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.60
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine?

The IUPAC name of 6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine (CID 141494040) is 6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine.

What is the SMILES notation for 6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine?

The canonical SMILES for 6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine is CN1CCN(c2ccc(Nc3cc4c(N5CCOCC5)nc(Nc5cccnc5)nc4cn3)nc2)CC1.

What is the InChIKey of 6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine?

The InChIKey is PPXVFXNMUFFYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N10O/c1-34-7-9-35(10-8-34)20-4-5-23(28-17-20)32-24-15-21-22(18-29-24)31-26(30-19-3-2-6-27-16-19)33-25(21)36-11-13-37-14-12-36/h2-6,15-18H,7-14H2,1H3,(H,28,29,32)(H,30,31,33).

What are the key properties of 6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine?

6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine has a molecular weight of 498.60 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-pyridin-3-ylpyrido[3,4-d]pyrimidine-2,6-diamine is sourced from PubChem (CID 141494040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).